Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Acetonitrile. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL28017081 | 1.00 | — | — | |
| Acetonitrile SCHEMBL19211025 | 1.00 | APLNR (0.32) | — | |
| Acetonitrile SCHEMBL583918 | 1.00 | — | — | |
| Acetonitrile SCHEMBL29125464 | 1.00 | APLNR (0.32) | — | |
| Acetonitrile SCHEMBL7316992 | 0.96 | — | — | |
| Acetonitrile SCHEMBL15092908 | 0.96 | APLNR (0.33) | — | |
| Acetonitrile SCHEMBL16267901 | 0.96 | APLNR (0.33) | — | |
| Acetonitrile SCHEMBL15092655 | 0.96 | APLNR (0.33) | — | |
| Acetonitrile SCHEMBL16267560 | 0.96 | APLNR (0.33) | — | |
| Acetonitrile SCHEMBL522737 | 0.96 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3427738-B1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | VERTEX PHARMA (US) | 2021-12-01 | — | — | EP | disclosed |
| US-10874673-B2 | Inhibitors of influenza viruses replication | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2020-12-29 | — | — | US | disclosed |
| CN-104922128-B | Inhibitors of influenza virus replication | 沃泰克斯药物股份有限公司 | 2019-12-20 | — | — | CN | disclosed |
| CN-110540538-A | Inhibitors of influenza virus replication | VERTEX PHARMA | 2019-12-06 | — | — | CN | disclosed |
| US-20190151314-A1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | VERTEX PHARMACEUTICALS INCORPORATED | 2019-05-23 | — | — | US | disclosed |
| EP-3427738-A1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | Vertex Pharmaceuticals Incorporated (US) | 2019-01-16 | — | — | EP | disclosed |
| US-10039762-B2 | Inhibitors of influenza viruses replication | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2018-08-07 | — | — | US | disclosed |
| EP-3141252-B1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | VERTEX PHARMA (US) | 2018-07-25 | — | — | EP | disclosed |
| US-20180078553-A1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | VERTEX PHARMACEUTICALS INCORPORATED | 2018-03-22 | — | — | US | disclosed |
| US-9808459-B2 | Inhibitors of influenza viruses replication | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-11-07 | — | — | US | disclosed |
| US-9518056-B2 | Inhibitors of influenza viruses replication | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-12-13 | — | — | US | disclosed |
| EP-2442809-B1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | VERTEX PHARMA (US) | 2016-08-31 | — | — | EP | disclosed |
| US-20160152614-A1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | VERTEX PHARMACEUTICALS INCORPORATED | 2016-06-02 | — | — | US | disclosed |
| US-9345708-B2 | Inhibitors of influenza viruses replication | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-05-24 | — | — | US | disclosed |
| US-20140296201-A1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | VERTEX PHARMACEUTICALS INCORPORATED | 2014-10-02 | — | — | US | disclosed |
| US-8829007-B2 | Inhibitors of influenza viruses replication | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-09-09 | — | — | US | disclosed |
| US-20140142119-A1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-05-22 | — | — | US | disclosed |
| US-20120171245-A1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-07-05 | — | — | US | disclosed |
| EP-2442809-A1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | Vertex Pharmaceuticals Incorporated (US) | 2012-04-25 | — | — | EP | disclosed |
| WO-2010148197-A1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-12-23 | — | — | WO | disclosed |